2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol

C9H20Br2O4 — CID 157347530

About 2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol

2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol (PubChem CID 157347530) has the molecular formula C9H20Br2O4 and a molecular weight of 352.06 g/mol. Its IUPAC name is 2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol.

Molecular Properties

• Compound Name: 2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol
• PubChem CID: 157347530
• Molecular Formula: C9H20Br2O4
• Molecular Weight: 352.06 g/mol
• Exact Mass: 349.97
• IUPAC Name: 2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol
• SMILES: OCCCBr.OCCOCCOCCBr
• InChI: InChI=1S/C6H13BrO3.C3H7BrO/c7-1-3-9-5-6-10-4-2-8;4-2-1-3-5/h8H,1-6H2;5H,1-3H2
• InChIKey: BHDLSJABDVBFFA-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.06
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol?

The IUPAC name of 2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol (CID 157347530) is 2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol.

What is the SMILES notation for 2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol?

The canonical SMILES for 2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol is OCCCBr.OCCOCCOCCBr.

What is the InChIKey of 2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol?

The InChIKey is BHDLSJABDVBFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrO3.C3H7BrO/c7-1-3-9-5-6-10-4-2-8;4-2-1-3-5/h8H,1-6H2;5H,1-3H2.

What are the key properties of 2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol?

2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol has a molecular weight of 352.06 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol is sourced from PubChem (CID 157347530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).